tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane

C13H28OS2Si — CID 11185456

IUPACtert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)C1SCCCS1
InChIInChI=1S/C13H28OS2Si/c1-11(12-15-8-7-9-16-12)10-14-17(5,6)13(2,3)4/h11-12H,7-10H2,1-6H3/t11-/m0/s1
InChIKeyJAMNOQZVRXRZBP-NSHDSACASA-N
MW292.59 g/mol
LogP4.84
Rot. Bonds4

About tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane

tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane (PubChem CID 11185456) has the molecular formula C13H28OS2Si and a molecular weight of 292.59 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane
PubChem CID11185456
Molecular FormulaC13H28OS2Si
Molecular Weight292.59 g/mol
Exact Mass292.14
IUPAC Nametert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)C1SCCCS1
InChIInChI=1S/C13H28OS2Si/c1-11(12-15-8-7-9-16-12)10-14-17(5,6)13(2,3)4/h11-12H,7-10H2,1-6H3/t11-/m0/s1
InChIKeyJAMNOQZVRXRZBP-NSHDSACASA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.59
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(3R)-3-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)-2,2-dimethylpropoxy]-dimethylsilane
CID 133083358
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
[(2S,3R)-3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol
CID 56946449
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
tert-butyl-[(2R,3S,4S,5R)-5-(1,3-dithiolan-2-yl)-2,3,4,5-tetrakis(phenylmethoxy)pentoxy]-dimethylsilane
CID 102308416
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane
CID 125380572
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine
CID 53427177
(1R,3aR,4S,7aR)-1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 139917251
tert-butyl-dimethyl-[2-[4-methyl-3-(oxan-2-yloxy)cyclohexyl]propoxy]silane
CID 11036058
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine;hydrochloride
CID 50999200

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane (CID 11185456) is tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane is C[C@@H](CO[Si](C)(C)C(C)(C)C)C1SCCCS1.
What is the InChIKey of tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane?
The InChIKey is JAMNOQZVRXRZBP-NSHDSACASA-N. The full InChI is InChI=1S/C13H28OS2Si/c1-11(12-15-8-7-9-16-12)10-14-17(5,6)13(2,3)4/h11-12H,7-10H2,1-6H3/t11-/m0/s1.
What are the key properties of tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane?
tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane has a molecular weight of 292.59 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane is sourced from PubChem (CID 11185456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).